Workflows Community Initiative Metadata (#355)

* Added Workflows Community Initiative metadata info; fixed some old links

* Run black

.wci.yml

@@ -0,0 +1,12 @@
+name: Merlin
+
+icon: https://raw.githubusercontent.com/LLNL/merlin/main/docs/images/merlin_icon.png
+
+headline: Enabling Machine Learning HPC Workflows
+
+description: The Merlin workflow framework targets large-scale scientific machine learning (ML) workflows in High Performance Computing (HPC) environments. Merlin is a producer-consumer workflow model that enables multi-machine, cross-batch job, dynamically allocated yet persistent workflows capable of utilizing surge-compute resources. Key features are a flexible and intuitive HPC-centric interface, low per-task overhead, multi-tiered fault recovery, and a hierarchical sampling algorithm that allows for highly scalable task execution and queuing to ensembles of millions of tasks.
+
+documentation:
+  general: https://merlin.readthedocs.io/
+  installation: https://merlin.readthedocs.io/en/latest/modules/installation/installation.html
+  tutorial: https://merlin.readthedocs.io/en/latest/tutorial.html

CHANGELOG.md

@@ -7,6 +7,10 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 ## [Unreleased]
 ### Added
 - Auto-release of pypi packages
+- Workflows Community Initiative metadata file
+
+### Fixed
+- Old references to stale branches
 
 ## [1.8.3]
 ### Added

README.md

@@ -4,7 +4,7 @@
 [![Issues](https://img.shields.io/github/issues/LLNL/merlin)](https://github.com/LLNL/merlin/issues)
 [![Pull requests](https://img.shields.io/github/issues-pr/LLNL/merlin)](https://github.com/LLNL/merlin/pulls)
 
-![Merlin](https://raw.githubusercontent.com/LLNL/merlin/master/docs/images/merlin.png)
+![Merlin](https://raw.githubusercontent.com/LLNL/merlin/main/docs/images/merlin.png)
 
 ## A brief introduction to Merlin
 Merlin is a tool for running machine learning based workflows. The goal of
@@ -133,6 +133,6 @@ the Merlin community, you agree to abide by its rules.
 
 
 ## License
-Merlin is distributed under the terms of the [MIT LICENSE](https://github.com/LLNL/merlin/blob/master/LICENSE).
+Merlin is distributed under the terms of the [MIT LICENSE](https://github.com/LLNL/merlin/blob/main/LICENSE).
 
 LLNL-CODE-797170

docs/source/modules/contribute.rst

@@ -41,6 +41,6 @@ Merlin is an open source project, so contributions are welcome. Contributions ca
 
 Contributing to Merlin is easy! Just `send us a pull request <https://github.com/LLNL/merlin/pulls>`_ from your fork. Before you send it, summarize your change in the ``[Unreleased]`` section of ``CHANGELOG.md`` and make sure develop is the destination branch. We also appreciate `squash commits <https://github.com/LLNL/merlin/wiki/Squash-commits>`_ before pull requests are merged.
 
-Merlin uses a rough approximation of the Git Flow branching model. The develop branch contains the latest contributions, and master is always tagged and points to the latest stable release.
+Merlin uses a rough approximation of the Git Flow branching model. The develop branch contains the latest contributions, and main is always tagged and points to the latest stable release.
 
 If you're a contributor, try to test and run on develop. That's where all the magic is happening (and where we hope bugs stop).

merlin/examples/workflows/feature_demo/scripts/pgen.py

@@ -5,7 +5,7 @@ def get_custom_generator(env, **kwargs):
     p_gen = ParameterGenerator()
     params = {
         "X2": {"values": [1 / i for i in range(3, 6)], "label": "X2.%%"},
-        "N_NEW": {"values": [2 ** i for i in range(1, 4)], "label": "N_NEW.%%"},
+        "N_NEW": {"values": [2**i for i in range(1, 4)], "label": "N_NEW.%%"},
     }
 
     for key, value in params.items():

merlin/examples/workflows/null_spec/scripts/launch_jobs.py

@@ -21,8 +21,8 @@
 
 # launch n_samples * n_conc merlin workflow jobs
 submit_path: str = os.path.abspath(os.path.dirname(os.path.abspath(__file__)))
-concurrencies: List[int] = [2 ** 0, 2 ** 1, 2 ** 2, 2 ** 3, 2 ** 4, 2 ** 5, 2 ** 6]
-samples: List[int] = [10 ** 1, 10 ** 2, 10 ** 3, 10 ** 4, 10 ** 5]
+concurrencies: List[int] = [2**0, 2**1, 2**2, 2**3, 2**4, 2**5, 2**6]
+samples: List[int] = [10**1, 10**2, 10**3, 10**4, 10**5]
 nodes: List = []
 c: int
 for c in concurrencies:

merlin/examples/workflows/openfoam_wf/scripts/learn.py

@@ -26,7 +26,7 @@
 U = outputs["arr_0"]
 enstrophy = outputs["arr_1"]
 
-energy_byhand = np.sum(np.sum(U ** 2, axis=3), axis=2) / U.shape[2] / 2
+energy_byhand = np.sum(np.sum(U**2, axis=3), axis=2) / U.shape[2] / 2
 enstrophy_all = np.sum(enstrophy, axis=2)
 
 X = np.load(inputs_dir + "/samples.npy")

merlin/examples/workflows/openfoam_wf_no_docker/scripts/learn.py

@@ -26,7 +26,7 @@
 U = outputs["arr_0"]
 enstrophy = outputs["arr_1"]
 
-energy_byhand = np.sum(np.sum(U ** 2, axis=3), axis=2) / U.shape[2] / 2
+energy_byhand = np.sum(np.sum(U**2, axis=3), axis=2) / U.shape[2] / 2
 enstrophy_all = np.sum(enstrophy, axis=2)
 
 X = np.load(inputs_dir + "/samples.npy")

merlin/examples/workflows/optimization/scripts/test_functions.py

@@ -17,22 +17,22 @@ def rosenbrock(X):
 def rastrigin(X, A=10):
     first_term = A * len(inputs)
 
-    return first_term + sum([(x ** 2 - A * np.cos(2 * math.pi * x)) for x in X])
+    return first_term + sum([(x**2 - A * np.cos(2 * math.pi * x)) for x in X])
 
 
 def ackley(X):
     firstSum = 0.0
     secondSum = 0.0
     for x in X:
-        firstSum += x ** 2.0
+        firstSum += x**2.0
         secondSum += np.cos(2.0 * np.pi * x)
     n = float(len(X))
 
     return -20.0 * np.exp(-0.2 * np.sqrt(firstSum / n)) - np.exp(secondSum / n) + 20 + np.e
 
 
 def griewank(X):
-    term_1 = (1.0 / 4000.0) * sum(X ** 2)
+    term_1 = (1.0 / 4000.0) * sum(X**2)
     term_2 = 1.0
     for i, x in enumerate(X):
         term_2 *= np.cos(x) / np.sqrt(i + 1)

merlin/examples/workflows/remote_feature_demo/scripts/pgen.py

@@ -10,7 +10,7 @@ def get_custom_generator(env, **kwargs) -> ParameterGenerator:
     p_gen: ParameterGenerator = ParameterGenerator()
     params: Dict[str, Union[List[float], str]] = {
         "X2": {"values": [1 / i for i in range(3, 6)], "label": "X2.%%"},
-        "N_NEW": {"values": [2 ** i for i in range(1, 4)], "label": "N_NEW.%%"},
+        "N_NEW": {"values": [2**i for i in range(1, 4)], "label": "N_NEW.%%"},
     }
     key: str
     value: Union[List[float], str]